Dear Colleagues, We are trying to create pdb files of small inorganic molecules with several models. We encounter problems in the way Chime presents these files. If any of you could help us we will be very grateful. Our purpose is to create a Website that calculates the distance of a molecule from the symmetry of its point group. For that we would like to present the original molecule and its perfectly symmetric match with a small animation. I will try to describe the problem. We take a simple small molecule (e.g. SF6), draw it and save it as pdb file. So far, Chime presents it as it should. We duplicate the model in the file, and add the model/endmdl tags to separate the models. We then change a bit one of the coordinates (of one of the atoms), that is, we distort one of the molecules, so we can see the difference between them. When we present this file in Chime, the connectivity is different then it should be, even though each model for itself is perfectly all right. We built a special script that allows us to separate models on the screen with buttons. We know this script is working because we tested it with a model that works. Even without this special script, Chime should present the molecule as if there is one extra atom which is misplaced. Is there a problem with our pdb files or with the way Chime presents such files? Is there any other format that can be used to save more then one model of a molecule in a file? Here is the file we created for SF6: COMPND MODEL 01 HETATM 1 F UNK 0 0.001 1.080 0.001 HETATM 2 F UNK 0 -0.001 -1.080 -0.000 HETATM 3 F UNK 0 -1.080 0.000 -0.000 HETATM 4 F UNK 0 1.080 0.000 -0.000 HETATM 5 F UNK 0 -0.001 0.000 1.080 HETATM 6 F UNK 0 0.001 -0.001 -1.080 HETATM 7 S UNK 0 0.000 0.000 -0.000 CONECT 7 1 2 3 4 CONECT 7 5 6 CONECT 1 7 CONECT 2 7 CONECT 3 7 CONECT 4 7 CONECT 5 7 CONECT 6 7 ENDMDL MODEL 02 HETATM 1 F UNK 0 1.000 1.080 0.000 HETATM 2 F UNK 0 -0.000 -1.080 -0.000 HETATM 3 F UNK 0 -1.080 0.000 -0.000 HETATM 4 F UNK 0 1.080 -0.000 0.000 HETATM 5 F UNK 0 -0.000 0.000 1.080 HETATM 6 F UNK 0 0.000 -0.000 -1.080 HETATM 7 S UNK 0 0.000 0.000 0.000 CONECT 7 1 2 3 4 CONECT 7 5 6 CONECT 1 7 CONECT 2 7 CONECT 3 7 CONECT 4 7 CONECT 5 7 CONECT 6 7 ENDMDL END Sincerely, Inbal __________________________________________ Dr. Inbal Tuvi-Arad Department of Natural Sciences The Open University of Israel 108 Ravutski St., POB 808, Raanana, 43107, Israel Tel: 972-9-778-1773 Fax: 972-9-778-0661 Email: inbaltu at openu.ac.il __________________________________________